(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide

C12H14FNO3 — CID 32608102

IUPAC(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H14FNO3/c1-16-11-7-8(13)4-5-9(11)14-12(15)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyVRXXNGAEXMQGBO-JTQLQIEISA-N
MW239.25 g/mol
LogP1.95
Rot. Bonds3

About (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide

(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide (PubChem CID 32608102) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
PubChem CID32608102
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H14FNO3/c1-16-11-7-8(13)4-5-9(11)14-12(15)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyVRXXNGAEXMQGBO-JTQLQIEISA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 110361978
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide (CID 32608102) is (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide is COc1cc(F)ccc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide?
The InChIKey is VRXXNGAEXMQGBO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-11-7-8(13)4-5-9(11)14-12(15)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide?
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 32608102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).